Neuroprotective Immunity by Essential Nutrient "Choline" for the Prevention of SARS CoV2 Infections: An in Silico Study by Molecular Dynamics Approach

TL;DR

This study uses molecular dynamics to suggest that choline, a common supplement, could inhibit SARS-CoV-2 protease, potentially offering a prenatal protective strategy against COVID-19.

Contribution

It demonstrates, through in silico methods, that choline can strongly inhibit SARS-CoV-2 protease, proposing a novel preventive approach for prenatal COVID-19 management.

Findings

Choline shows strong binding affinity to SARS-CoV-2 3CLpro protease.

Molecular dynamics confirms stable interaction between choline and the protease.

Potential for choline as a prenatal supplement to prevent COVID-19 effects.

Abstract

Prenatal COVID infection is one of the worst affected and least attended aspects of the COVID-19 disease. Like other coronaviruses, CoV2 infection is anticipated to affect fetal development by maternal inflammatory response on the fetus and placenta. Studies showed that higher prenatal choline level in mother's body can safeguard the developing brain of the fetus from the adverse effects of CoV2 infection. Choline is commonly used as food supplement. By virtual screening, molecular docking and molecular dynamics techniques, we have established a strong inhibitory possibility of choline for SARS $\rm{3CL^{pro}}$ protease which may provide a lead for prenatal COVID-19 treatment.